scholarly journals Resultant Information Descriptors, Equilibrium States and Ensemble Entropy †

Entropy ◽  
2021 ◽  
Vol 23 (4) ◽  
pp. 483
Author(s):  
Roman F. Nalewajski
Keyword(s):  
Equilibrium Phase ◽  
Electronic Energy ◽  
Local Source ◽  
Sources Of Information ◽  
Gradient Information ◽  
Entropy Information ◽  
Current Densities ◽  
Stationary Quantum ◽  
Thermodynamic Phase ◽  
Derivatives Of

In this article, sources of information in electronic states are reexamined and a need for the resultant measures of the entropy/information content, combining contributions due to probability and phase/current densities, is emphasized. Probability distribution reflects the wavefunction modulus and generates classical contributions to Shannon’s global entropy and Fisher’s gradient information. The phase component of molecular states similarly determines their nonclassical supplements, due to probability “convection”. The local-energy concept is used to examine the phase equalization in the equilibrium, phase-transformed states. Continuity relations for the wavefunction modulus and phase components are reexamined, the convectional character of the local source of the resultant gradient information is stressed, and latent probability currents in the equilibrium (stationary) quantum states are related to the horizontal (“thermodynamic”) phase. The equivalence of the energy and resultant gradient information (kinetic energy) descriptors of chemical processes is stressed. In the grand-ensemble description, the reactivity criteria are defined by the populational derivatives of the system average electronic energy. Their entropic analogs, given by the associated derivatives of the overall gradient information, are shown to provide an equivalent set of reactivity indices for describing the charge transfer phenomena.

scholarly journals Equalization principles in open subsystems, origins of information descriptors and state-continuity relations

2021 ◽  
pp. 004-021
Author(s):  
Nalewajski Roman F
Keyword(s):  
Electronic States ◽  
Local Source ◽  
Simultaneous Removal ◽  
Sources Of Information ◽  
Classical Probability ◽  
Information Measures ◽  
Energy Concept ◽  
Entropy Information ◽  
Stationary Quantum ◽  
Combining Information

The electronegativity-equalization at several hypothetical stages of chemical reactions is reexamined and phase-equalization in open substrates is explored. The equivalence of the energy and information reactivity criteria is stressed and local energy concept is shown to determine time-evolutions of wavefunction components. Independent sources of information content in electronic states are identifi ed and the need for resultant entropy-information measures in quantum mechanics, combining information contributions due to the classical (probability) and nonclassical (phase/current) distributions, is reemphasized. Limitations for a simultaneous removal of uncertainties in the position and velocity distributions imposed by the Heisenberg indeterminacy principle, are discussed, continuities of the wavefunction modulus and phase components are examined, the convectional character of the local source of resultant gradient information is stressed, and a latent (“horizontal”) probability currents in the stationary quantum states are discussed.

O-Benzylidene Derivatives of D-Arabinose Diethyl and Dipropyl Dithioacetal

1996 ◽  
Vol 49 (3) ◽  
pp. 273 ◽  
Author(s):  
J Kuszmann ◽  
E Gacsbaitz
Keyword(s):  
Hydrochloric Acid ◽  
Zinc Chloride ◽  
Partial Hydrolysis ◽  
Kinetic Control ◽  
Toluenesulfonic Acid ◽  
Thermodynamic Phase ◽  
Hydrolysis Of ◽  
Derivatives Of

Benzylidenation of D-arabinose diethyl and dipropyl dithioacetals with α,α-dimethoxytoluene in the presence of p-toluenesulfonic acid has been studied in detail. Under kinetic control the two terminal dioxolan -type 4,5-O-(R)- and 4,5-O-(S)-benzylidene diastereomers are formed first which are in equilibrium with each other In the thermodynamic phase of the reaction the corresponding dioxan -type 3,5-O-(R)- benzylidene isomer is formed too, but all three monobenzylidene isomers are gradually converted into the four possible dioxolan -type 2,3 : 4,5-di-O benzylidene diastereomers . The dioxan -type 2,4:3,5-di-O-benzylidene isomer was present only in trace amounts. When benzaldehyde was used as reagent in the presence of hydrochloric acid or zinc chloride only the 2,3: 4,5-di-O-benzylidene diastereomers were formed. Partial hydrolysis of the dibenzylidene derivatives yielded the corresponding 2,3-O-benzylidene diastereomers. Structures, including the chirality of the benzylidene groups, were determined by n.m.r. spectroscopy. A mechanism suggested for the reaction was partially supported by equilibration studies.

Metastable Phase Evolution in TiO2-YO3/2-ZrO2

2004 ◽  
Vol 835 ◽  
Author(s):  
Tobias Schaedler ◽  
Solome Girma ◽  
Ashutosh S. Gandhi ◽  
Sanjay Sampath ◽  
Carlos G. Levi
Keyword(s):  
Metastable Phase ◽  
Electronic Conductivity ◽  
Equilibrium Phase ◽  
Phase Evolution ◽  
Fluorite Structure ◽  
Heat Treated ◽  
Wide Range ◽  
Correct Form ◽  
Derivatives Of ◽  
Mixed Ionic Electronic Conductivity

ABSTRACTThe metastable-to-equilibrium phase evolution over a wide range of compositions in the TiO2-YO3/2-ZrO2 system was investigated. The competing phases are all derivatives of the fluorite structure and compositions within the fluorite and pyrochlore fields exhibit technologically interesting ionic and mixed ionic-electronic conductivity. Powders of various compositions were synthesized by precursor routes, pyrolyzed and subsequently heat-treated in a stepwise manner at progressively higher temperatures to explore the sequence of phase evolution. Extended solid solutions with amorphous, fluorite and ordered pyrochlore structures were produced over significant composition ranges within the ternary. The study also sheds new light on the correct form of the phase equilibria at 1300°C.

Development of Printed Power Packaging for a High Voltage SiC Module

2012 ◽  
Vol 2012 (1) ◽  
pp. 000955-000960
Author(s):  
Haotao KE ◽  
Douglas C Hopkins
Keyword(s):  
High Voltage ◽  
Internal Resistance ◽  
Electronic Energy ◽  
Electronic Systems ◽  
Power Module ◽  
Printable Electronics ◽  
Current Densities ◽  
Circuit Techniques ◽  
Silicon Power Devices ◽  
Printing Techniques

Due to rapidly developing post silicon power devices, in particular SiC and GaN, three primary parameters in power packaging: temperature, voltage and current, are much more difficult to manage. The SiC devices are being developed for high voltage (>15kV). The GaN devices will have extremely low internal resistance, operate at extreme current densities (≫10A/mm2), and can account for <50% of the resistance in a power module. Both devices can operate at high temperatures (>300°C) and >10-times frequency compared to Si. The traditional power electronics packaging approaches need augmentation or replacement. Most technologies used in packaging of power electronic systems, or more generally Electronic Energy Systems, are ported from microelectronics. The recent development of printable 3D circuit techniques, e.g. jetting and dispensing, provide additional major approaches applicable to power packaging. Some printing techniques are already applied to solar cells and batteries. This paper explores the printable electronics technologies for application to power.

Stability Conditions

2019 ◽  
pp. 195-204
Author(s):  
Robert H. Swendsen
Keyword(s):  
Specific Heat ◽  
Stability Conditions ◽  
Low Density ◽  
Partial Derivatives ◽  
Thermodynamic Phase ◽  
Derivatives Of

Stability exists when a thermodynamic phase remains homogenous instead of separating into phases of high and low density (clumping). Certain conditions on the second partial derivatives of extensive variables are necessary for stability, even when the first derivatives do not vanish. These conditions can be expressed in terms of the compressibility and specific heat. Inequalities involving second partial derivatives with respect to intensive variables are derived. We have been assuming that the density of a gas will remain uniform, rather than having most of the particles clump together in one part of the container, leaving the rest of the volume nearly empty.

Phase formation and stability in TiOx and ZrOx thin films: Extremely sub-stoichiometric functional oxides for electrical and TCO applications

2017 ◽  
Vol 232 (1-3) ◽  
Author(s):  
Ralph A. Henning ◽  
Thomas Leichtweiss ◽  
Daniel Dorow-Gerspach ◽  
Rüdiger Schmidt ◽  
Niklas Wolff ◽  
...  
Keyword(s):  
Thin Films ◽  
Binary Systems ◽  
Equilibrium Phase ◽  
Functional Materials ◽  
Synthetic Strategy ◽  
Precursor Phase ◽  
Equilibrium Phases ◽  
Thermodynamic Phase ◽  
Gas Phase Deposition ◽  
Non Equilibrium

AbstractMost functional materials are thermodynamic equilibrium phases representing minima in the thermodynamic phase space. However, it is expected that many metastable phases with highly interesting properties also exist. Here, we report on a systematic approach to prepare thin-films of such non-equilibrium phases based on the gas phase deposition methods sputtering and pulsed laser deposition (PLD). Our synthetic strategy is to deposit a “precursor phase” which is amorphous or already a crystalline non-equilibrium phase. Subsequent heat treatment leads to the nucleation of crystalline phases which again may be metastable or stable compounds. In the present paper we focus on the binary systems Ti–O and Zr–O, both systems being widely applied and technologically relevant. Highly oxygen-deficient titanium oxide (TiO

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